(2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid

C15H25NO4 — CID 154767053

IUPAC(2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(NC[C@H]1CCO[C@H]1C(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H25NO4/c17-14(11-6-4-2-1-3-5-7-11)16-10-12-8-9-20-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)/t12-,13-/m1/s1
InChIKeyFIIRBRYXIVTLMZ-CHWSQXEVSA-N
MW283.37 g/mol
LogP1.95
Rot. Bonds4

About (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid

(2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid (PubChem CID 154767053) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid
PubChem CID154767053
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid
SMILESO=C(NC[C@H]1CCO[C@H]1C(=O)O)C1CCCCCCC1
InChIInChI=1S/C15H25NO4/c17-14(11-6-4-2-1-3-5-7-11)16-10-12-8-9-20-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)/t12-,13-/m1/s1
InChIKeyFIIRBRYXIVTLMZ-CHWSQXEVSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
CID 114301412
3-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120701748
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexanecarboxamide
CID 71277091
1-[(2-prop-1-en-2-yloxolan-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122013023
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid (CID 154767053) is (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid is O=C(NC[C@H]1CCO[C@H]1C(=O)O)C1CCCCCCC1.
What is the InChIKey of (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid?
The InChIKey is FIIRBRYXIVTLMZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H25NO4/c17-14(11-6-4-2-1-3-5-7-11)16-10-12-8-9-20-13(12)15(18)19/h11-13H,1-10H2,(H,16,17)(H,18,19)/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid?
(2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(cyclooctanecarbonylamino)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 154767053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).